10,12-Dibromo-3-pyrrolidin-1-yl-7-(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Basic information
- CAS
88061-92-1- Standard SMILES
BrC1=CC(Br)=C2N=C(N3CCCC3)N=C3N=C(C(Br)(Br)Br)N=C1N32- InChIKey
CQVHEVSLSAOOBG-UHFFFAOYSA-N- Molecular formula
- C13H9Br5N6
- Average molar mass
- 648.8 g/mol
- Monoisotopic mass
- 643.68056
Names & identifiers
- Preferred name
- 10,12-Dibromo-3-pyrrolidin-1-yl-7-(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
- IUPAC
- 10,12-dibromo-3-pyrrolidin-1-yl-7-(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Names & synonyms
NSC37066288061-92-1DTXSID60321127NSC-3706627,9-Dibromo-2-(pyrrolidin-1-yl)-5-(tribromomethyl)-1,3,4,6,9b-pentaazaphenalene
Database identifiers
- CAS
88061-92-1- PubChem CID
- 340324
- DTXSID
DTXSID60321127
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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